tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate

C16H21N5O3 — CID 58081341

IUPACtert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)ccc1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C16H21N5O3/c1-10-11(7-17-14(22)12-8-18-19-9-12)5-6-13(20-10)21-15(23)24-16(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,17,22)(H,18,19)(H,20,21,23)
InChIKeyMHTURIWBXJJVIE-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.39
Rot. Bonds4

About tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate

tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate (PubChem CID 58081341) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate
PubChem CID58081341
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Nametert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate
SMILESCc1nc(NC(=O)OC(C)(C)C)ccc1CNC(=O)c1cn[nH]c1
InChIInChI=1S/C16H21N5O3/c1-10-11(7-17-14(22)12-8-18-19-9-12)5-6-13(20-10)21-15(23)24-16(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,17,22)(H,18,19)(H,20,21,23)
InChIKeyMHTURIWBXJJVIE-UHFFFAOYSA-N
XLogP2.39
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-(aminomethyl)-6-methyl-2-pyridinyl]carbamate
CID 10681361
tert-butyl N-[6-methyl-5-(methylamino)-2-pyridinyl]carbamate
CID 19358376
[4,6-dimethyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamic acid
CID 66723619
tert-butyl N-[5-[(3-hydrazinyl-6-methyl-2-oxopyrazin-1-yl)methylcarbamoyl]-6-methyl-2-pyridinyl]carbamate
CID 11292589
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 60787998
N-[[4-(bromomethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 107233872
tert-butyl N-[6-methyl-5-[methyl(phenyl)carbamoyl]-2-pyridinyl]carbamate
CID 171471952
tert-butyl N-[6-[[5-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]carbamoyl]pyridine-2-carbonyl]amino]-2-pyridinyl]carbamate
CID 102215306
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
tert-butyl 1H-pyrazole-4-carboxylate;methane
CID 166118225
[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate
CID 174936365
tert-butyl N-(5-cyano-6-ethyl-2-pyridinyl)carbamate
CID 18926411

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate (CID 58081341) is tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate is Cc1nc(NC(=O)OC(C)(C)C)ccc1CNC(=O)c1cn[nH]c1.
What is the InChIKey of tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate?
The InChIKey is MHTURIWBXJJVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-10-11(7-17-14(22)12-8-18-19-9-12)5-6-13(20-10)21-15(23)24-16(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,17,22)(H,18,19)(H,20,21,23).
What are the key properties of tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate?
tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate has a molecular weight of 331.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 58081341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).